Geometry & MOs

Info

ID:	22988
PubChem CID:	600685
Reduced:	NOC21H29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	311.224915
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	3.75
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-4-(diethylamino)benzaldehyde

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)C=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations